1ZLE

crystal structure of a rgd-containing host-selective toxin: pyrenophora tritici-repentis ptr toxa

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 62
  • Norm. En. per Res.: -3.8358
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-31.995	-17.9033	-167.566	-217.4643	62	14	5	7006	3	12	10
A-C	-46.6551	-18.1551	-173.007	-237.8172	62	12	5	6883	3	13	10
B-C	-48.8894	-18.7181	-164.366	-231.9735	61	13	5	6991	3	13	10

Interface residues

• A-B: ALA151A, ALA151B, ARG117A, ARG121A, ARG125A, ARG128A, ARG128B, ARG140B, ARG156A, ARG169B, ARG173B, ASN119A, ASN122A, ASN127A, ASN136B, ASN178A, ASN178B, ASP135B, ASP142B, ASP149A, ASP149B, CYS160A, CYS64A, GLN133B, GLN154A, GLN175B, GLN81B, GLU145B, GLU177A, GLU177B, GLY141B, GLY148B, GLY155A, GLY157A, GLY62A, ILE120A, ILE130B, ILE131B, ILE153A, LEU129A, LEU129B, LEU146B, LEU152A, LEU161A, LEU176B, MET174B, PHE147B, PHE159A, SER158A, SER63A, THR126A, THR132B, THR137B, THR139B, THR167B, TRP134B, TRP172B, TYR144B, TYR150A, TYR150B, VAL118A, VAL143B
• A-C: ALA151A, ALA151C, ARG117C, ARG121C, ARG125C, ARG128A, ARG128C, ARG140A, ARG156C, ARG164A, ARG169A, ARG173A, ASN119C, ASN122C, ASN127C, ASN178A, ASN178C, ASP135A, ASP142A, ASP149A, ASP149C, CYS160C, CYS64C, GLN133A, GLN154C, GLN175A, GLN81A, GLU145A, GLU177A, GLU177C, GLY141A, GLY148A, GLY155C, GLY157C, GLY62C, ILE120C, ILE130A, ILE131A, ILE153C, LEU129A, LEU129C, LEU146A, LEU152C, LEU161C, LEU176A, MET174A, PHE147A, PHE159C, SER158C, SER63C, THR126C, THR132A, THR137A, THR139A, THR167A, TRP134A, TRP172A, TYR144A, TYR150A, TYR150C, VAL118C, VAL143A
• B-C: ALA151B, ALA151C, ARG117B, ARG121B, ARG125B, ARG128B, ARG128C, ARG140C, ARG156B, ARG169C, ARG173C, ASN119B, ASN122B, ASN127B, ASN136C, ASN178B, ASN178C, ASP135C, ASP142C, ASP149B, ASP149C, CYS160B, CYS64B, GLN133C, GLN154B, GLN175C, GLN81C, GLU145C, GLU177B, GLU177C, GLY141C, GLY148C, GLY155B, GLY157B, GLY62B, ILE120B, ILE130C, ILE131C, ILE153B, LEU129B, LEU129C, LEU146C, LEU152B, LEU161B, LEU176C, MET174C, PHE147C, PHE159B, SER158B, SER63B, THR126B, THR132C, THR137C, THR139C, TRP134C, TRP172C, TYR144C, TYR150B, TYR150C, VAL118B, VAL143C